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Home > Indoles and Oxindole > 163956-72-7
163956-72-7 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(methylsulfinyl)butyl]-
CAS No: 163956-72-7 Catalog No: AG001UK4 MDL No:MFCD04972435
Product Description
Catalog Number:
AG001UK4
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(methylsulfinyl)butyl]-
CAS Number:
163956-72-7
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
MDL Number:
MFCD04972435
IUPAC Name:
2-(4-methylsulfinylbutyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO3S/c1-18(17)9-5-4-8-14-12(15)10-6-2-3-7-11(10)13(14)16/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
WQSMYMXLTSMQNA-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCS(=O)C)C(=O)c2c1cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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